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5,11-trans-Diethyl-2,8-bis[(trifluoromethanesulfonyl)oxy]-5,6,11,12-tetrahydrocyrysene
SpectraBase Compound ID CJrdJmoNj6I
InChI InChI=1S/C24H22F6O6S2/c1-3-13-9-15-11-17(35-37(31,32)23(25,26)27)6-8-20(15)22-14(4-2)10-16-12-18(5-7-19(16)21(13)22)36-38(33,34)24(28,29)30/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKey FXKIJUBHXSRBSF-UHFFFAOYSA-N
Mol Weight 584.54 g/mol
Molecular Formula C24H22F6O6S2
Exact Mass 584.0762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvHVksNXikQ
Name 5,11-trans-Diethyl-2,8-bis[(trifluoromethanesulfonyl)oxy]-5,6,11,12-tetrahydrocyrysene
CAS Registry Number 138090-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F6O6S2
InChI InChI=1S/C24H22F6O6S2/c1-3-13-9-15-11-17(35-37(31,32)23(25,26)27)6-8-20(15)22-14(4-2)10-16-12-18(5-7-19(16)21(13)22)36-38(33,34)24(28,29)30/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKey FXKIJUBHXSRBSF-UHFFFAOYSA-N
Molecular Weight 584.544 g/mol
SMILES C(S(Oc1cc2CC(CC)C3=C(c2cc1)C(Cc1cc(OS(C(F)(F)F)(=O)=O)ccc31)CC)(=O)=O)(F)(F)F
SPLASH splash10-014i-0009420000-3f6b9dfd3e66304886cd
Source of Spectrum J-57-1269-12
Synonyms 5,11-diethyl-8-{[(trifluoromethyl)sulfonyl]oxy}-5,6,11,12-tetrahydro-2-chrysenyl trifluoromethanesulfonate
Wiley ID 1408796